3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione

C8H12O6PS- — CID 23416843

IUPAC3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)OP2([S-])(OC1=O)OC(=O)C(C)(C)O2
InChIInChI=1S/C8H12O6PS/c1-7(2)5(9)11-15(16,13-7)12-6(10)8(3,4)14-15/h1-4H3/q-1
InChIKeyVHEAMAJZWWSDFT-UHFFFAOYSA-N
MW267.22 g/mol
LogP1.37
Rot. Bonds

About 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione

3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione (PubChem CID 23416843) has the molecular formula C8H12O6PS- and a molecular weight of 267.22 g/mol. Its IUPAC name is 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
PubChem CID23416843
Molecular FormulaC8H12O6PS-
Molecular Weight267.22 g/mol
Exact Mass267.01
IUPAC Name3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)OP2([S-])(OC1=O)OC(=O)C(C)(C)O2
InChIInChI=1S/C8H12O6PS/c1-7(2)5(9)11-15(16,13-7)12-6(10)8(3,4)14-15/h1-4H3/q-1
InChIKeyVHEAMAJZWWSDFT-UHFFFAOYSA-N
XLogP1.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione (CID 23416843) is 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione is CC1(C)OP2([S-])(OC1=O)OC(=O)C(C)(C)O2.
What is the InChIKey of 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
The InChIKey is VHEAMAJZWWSDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6PS/c1-7(2)5(9)11-15(16,13-7)12-6(10)8(3,4)14-15/h1-4H3/q-1.
What are the key properties of 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione has a molecular weight of 267.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,8-tetramethyl-5-sulfido-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 23416843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).